"As researchers, we synthesized a catalyst by mixing proline and taurine, which exhibited significant reactivity in heterocyclic compound synthesis. Characterization via proton and carbon NMR, as well as FTIR, revealed interaction between the components. Despite this, we are unable to ascertain the structure of the catalyst. What could be the possible structure of this catalyst, considering the interactions observed?"
Dear Sunita,
For elucidating the structure of a compound by NMR, more spectra are required than just the 1D 1H and 13C spectra. In order to establish the connectivity, I would suggest to record at least the following 2D correlation spectra: 1H COSY and NOESY spectra and 1H,13C-HSQC and HMBC spectra. This will allow you to establish the connections between the observed signals. If you would combine this with the molecular formula of the compound provided by accurate mass MS, you have a very good chance to elucidate the structure of your catalyst.
yes, we have recorded its HSQC and COSY spectra, if you want, we are ready to share them with you.
Dear Sunita Teli,
without further experimental detail like mass I would guess you might face something like compound 3 in this linked paper.
Article Structure and conformation of peptides containing the sulpho...
Your NMR spectra seems recorded in DMSO. Maybe you can dissolve your obtained catalyst in CDCl3 and compare it to this reported data of 3?
Best regards
Dear Sunita,
The HSQC and COSY spectra only provide short-range correlations. While it certainly is a step in the right direction, it is insufficient to fully resolve the structure of the compound. At least a HMBC spectrum is required to be able to assign the quaternary carbon atoms and to connect the different spin systems.
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